We need more information to be able to help you. Den tor. 17. jun. 2021 kl. 22.00 skrev zhyphy <zh...@mails.jlu.edu.cn>:
> Dear All， > I want to calculate the transport properties of long molecules. > when I set the kpoints for 1 1 100, the program will stop at > > transiesta: created H and S sparsity pattern: > <sparsity:(M of: G ((UC of: T T T sparsity for geom step 0))) > nrows_g=2364 nrows=2364 sparsity=.1379 nnzs=770702, refcount: 1> > > When the kpoints is set to 1 1 1 or I shorten the molecular length , > the program will work normally. > How to solve this problem? > > Thanks, > zhy > > > > -- > SIESTA is supported by the Spanish Research Agency (AEI) and by the > European H2020 MaX Centre of Excellence (http://www.max-centre.eu/) > -- Kind regards Nick
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
